Iron(III)-Deuteroporphyrin
[CAS 65238-89-3]

Identification

• Name: Iron(III)-Deuteroporphyrin
• Synonyms: Ferrate(1-), (3,7,12,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoate(4-)-N21,N22,N23,N24)-, (Sp-4-2)-; Iron(Iii)-Deuteroporphyrin; Iron(Iii)-Deuteroporphyrin Ix
• Molecular Formula: C₃₀H₂₈FeN₄O₄
• Molecular Weight: 564.42
• CAS Registry Number: 65238-89-3 (18922-88-8)
• SMILES: N1=C3C(=C(C1=CC2=C(C=C([N-]2)C=C5N=C(C=C4[N-]C(=C3)C(=C4C)CCC([O-])=O)C=C5C)C)C)CCC([O-])=O.[H+].[H+].[Fe++]
• InChI: 1S/C30H30N4O4.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+2/p-2
• InChIKey: QQYZTXBVPVYDJC-UHFFFAOYSA-L

Properties

• Boiling point: 1119°C at 760 mmHg (Cal.)
• Flash point: 630.5°C (Cal.)